Home
SAGAR
Database
MATLAB-code
ASE database
Help with constructing advanced search queries ...
Toggle list of keys ...
Dipole_val
ads_E
ads_site
age
Time since creation
atom_E
calculator
ASE-calculator name
charge
Net charge in unit cell
|e|
distance
energy
Total energy
eV
fmax
Maximum force
eV/Ang
formula
Chemical formula
id
Uniqe row ID
magmom
Magnetic moment
au
mass
Sum of atomic masses in unit cell
au
natoms
Number of atoms
pbc
Periodic boundary conditions
plane_index
slab_E
smax
Maximum stress on unit cell
eV/Ang
3
str_E
unique_id
Random (unique) ID
user
Username
volume
Volume of unit cell
Ang
3
Displaying rows 526-8 out of 8
Download
Database file
JSON file
VASP file
last_column file
Convex Diagram
Add Column
ads_E
ads_site
Time since creation (age)
atom_E
ASE-calculator name (calculator)
distance
Total energy (energy)
Maximum force (fmax)
Chemical formula (formula)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
plane_index
slab_E
Maximum stress on unit cell (smax)
str_E
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Dipole_val
✕
Charge
✕
526
-0.793
0.000
527
0.375
0.000
528
0.645
0.000
529
0.716
0.000
530
0.779
0.000
531
0.691
0.000
532
-0.008
0.000
533
-4.509
0.000
534
-2.586
0.000
535
-0.999
0.000
536
0.033
0.000
537
0.599
0.000
538
0.730
0.000
539
0.342
0.000
540
-0.060
0.000
541
0.018
0.000
542
-0.018
0.000
543
-3.363
0.000
544
-0.802
0.000
545
0.352
0.000
546
0.620
0.000
547
0.718
0.000
548
0.820
0.000
549
0.747
0.000
550
-0.010
0.000
«
1
...
»